SCHEMBL8737332

SCHEMBL8737332

O=[N+]([O-])C1=CC(O)(CO)C=C(Br)C1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
KCNA4 P22459 1/20 0.32
KCNA1 Q09470 1/20 0.32
KCNAB1 Q14722 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
GSR P00390 1/20 0.31
LMNA P02545 2/20 0.30
POLB P06746 1/20 0.30
PDE1C Q14123 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6058559 0.83 KDM1A (0.41) KDM1AALDH1A1MAPTLMNA
SCHEMBL5608796 0.73 KDM1A (0.33) KDM1A
SCHEMBL5608315 0.69 KDM1A (0.30) KDM1A
SCHEMBL8735355 0.63 MAPT (0.34) MAPTMEN1GAAHPGDKMT2A
SCHEMBL8735310 0.59 KDM1A (0.33) KDM1A
SCHEMBL7398947 0.57 KDM1A (0.39) KDM1AALDH1A1
Nitrobenzene SCHEMBL28164256 0.55 ALDH1A1 (0.76) ALDH1A1TDP1MEN1HPGDKMT2A
SCHEMBL9489237 0.55 KDM1A (0.44) KDM1AALDH1A1MAPTTDP1GAA
Nitrobenzene SCHEMBL8667167 0.55 ALDH1A1 (0.59) ALDH1A1TDP1MEN1HPGDKMT2A
Nitrobenzene SCHEMBL250669 0.54 ALDH1A1 (0.67) ALDH1A1TDP1MEN1HPGDKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877607-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-11-18 EP claimed
WO-1997027846-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 WO claimed
EP-0877607-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-11-18 EP disclosed
WO-1997027846-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 WO disclosed